Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'ALK tyrosine kinase receptor' and Ligand = 'BDBM50389155'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389155 (CHEMBL2064723) Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio...				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389155 (CHEMBL2064723) Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human ALK cytoplasmic domain expressed in baculovirus using GST-PLCgamma as substrate preincubated for 15 mins before substrate additio...				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389155 (CHEMBL2064723) Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair
ALK tyrosine kinase receptor (Homo sapiens (Human))	BDBM50389155 (CHEMBL2064723) Show SMILES COc1cc2CCC(CCc2cc1Nc1ncc(Cl)c(N[C@@H]2[C@@H]3C[C@@H](C=C3)[C@@H]2C(N)=O)n1)N1CCN(C)CC1 |r,c:27| Show InChI InChI=1S/C29H38ClN7O2/c1-36-9-11-37(12-10-36)21-7-5-17-14-23(24(39-2)15-18(17)6-8-21)33-29-32-16-22(30)28(35-29)34-26-20-4-3-19(13-20)25(26)27(31)38/h3-4,14-16,19-21,25-26H,5-13H2,1-2H3,(H2,31,38)(H2,32,33,34,35)/t19-,20+,21?,25+,26-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of ALK tyrosine phosphorylation in human Karpas-299 cells after 2 hrs in presence of mouse plasma				J Med Chem 55: 4580-93 (2012) Article DOI: 10.1021/jm201550q BindingDB Entry DOI: 10.7270/Q23F4QQN
					More data for this Ligand-Target Pair